Information card for entry 7060263

Structure parameters

• Formula: C16 H16 N2 O6
• Calculated formula: C16 H16 N2 O6
• Title of publication: A highly efficient solution and solid state ESIPT fluorophore and its OLED application
• Authors of publication: Trannoy, Virgile; Léaustic, Anne; Gadan, Sophie; Guillot, Régis; Allain, Clémence; Clavier, Gilles; Mazerat, Sandra; Geffroy, Bernard; Yu, Pei
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 6
• Pages of publication: 3014 - 3021
• a: 16.3814 ± 0.0006 Å
• b: 11.6206 ± 0.0005 Å
• c: 8.1169 ± 0.0003 Å
• α: 90°
• β: 102.453 ± 0.002°
• γ: 90°
• Cell volume: 1508.79 ± 0.1 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No